[
  {
    "molid": "mol13990",
    "smiles": "C[n+]1cnc2nc[nH]c2c1O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[n+]1cnc2nc[nH]c2c1[O-]",
        "std_free_energy": -5.216277122497559,
        "relative_population": 0.9683783709498542
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[n+]1cnc2nc[nH]c2c1O",
        "std_free_energy": 5.321837902069092,
        "relative_population": 0.9728273910642257
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]